Cas no 62315-02-0 (Benzoic acid, 2-hydroxy-5-(1-naphthalenylmethyl)-)
62315-02-0 structure
Product Name:Benzoic acid, 2-hydroxy-5-(1-naphthalenylmethyl)-
CAS No:62315-02-0
MF:C18H14O3
MW:278.301965236664
CID:449616
PubChem ID:71387606
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-5-(1-naphthalenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-5-(1-naphthalenylmethyl)-
- 2-hydroxy-5-(naphthalen-1-ylmethyl)benzoic acid
- 2-Hydroxy-5-[(naphthalen-1-yl)methyl]benzoic acid
- 62315-02-0
- DTXSID30809720
-
- Inchi： 1S/C18H14O3/c19-17-9-8-12(11-16(17)18(20)21)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-9,11,19H,10H2,(H,20,21)
- InChI Key： URTSQWUNKRLTLX-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1C(=O)O)CC1=CC=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 278.09432
- Monoisotopic Mass: 278.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 368
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzoic acid, 2-hydroxy-5-(1-naphthalenylmethyl)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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